University of Illinois Urbana-Champaign

Full Dimensional Potentials, Dipole Moment Surfaces And (ro)vibrational Calculations For H5+, H7+ And Hoco

Bowman, Joel

Content Files
WG14_Abstract.pdf
WG14_Abstract.txt
WG14_Presentation.pdf

Permalink

https://hdl.handle.net/2142/50796

Description

Title
Full Dimensional Potentials, Dipole Moment Surfaces And (ro)vibrational Calculations For H5+, H7+ And Hoco
Author(s)
Bowman, Joel
Contributor(s)
  • Wang, Yimin
  • Carter, Stuart
Issue Date
2014-06-18
Keyword(s)
Mini-symposium: Beyond the Mass-to-Charge Ratio: Spectroscopic Probes of the Structures of Ions
Date of Ingest
  • 2014-09-17T16:54:56Z
  • 2015-04-14T18:40:20Z
Abstract
"I will describe progress in the first-principles calculations of ``line-list"" ro-vibrational spectra of H$_{5}^{+}$, D$_{5}^{+}$ and HOCO and low-resolution spectrum of H$_{7}^{+}$, along with insights into the internal motions of these species. The calculations make use of full-dimensional ab initio potential and dipole moment surfaces and the code ""MULTIMODE""."
Publisher
International Symposium on Molecular Spectroscopy
Type of Resource
text
Genre of Resource
Conference Paper / Presentation
Language
English
Permalink
http://hdl.handle.net/2142/50796
DOI
https://doi.org/10.15278/isms.2014.WG14
Copyright and License Information
Copyright 2014 by the authors. Licensed under a Creative Commons Attribution 4.0 International License. http://creativecommons.org/licenses/by/4.0/

Owning Collections

Abstracts & Presentations - 2014 International Symposium on Molecular Spectroscopy PRIMARY